Acta Cryst. (2006). E62, i263-i265  [ doi:10.1107/S160053680604832X ]

Caesium calcium cyclo-triphosphate, CsCaP₃O₉

I. V. Zatovsky, N. Yu. Strutynska, V. N. Baumer, N. S. Slobodyanik and O. V. Shishkin

Online 24 November 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (P-O) = 0.002 Å
• R factor = 0.020
• wR factor = 0.041
• Data-to-parameter ratio = 20.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   Ca1 Cs1 O9 P3
            Atom count from _chemical_formula_moiety:
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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